ChemDiv1_000862
TL;DR: ChemDiv1_000862 (CAS 5705-93-1) is a chemical compound with molecular formula C21H20Cl2N2O3 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_000862, BAS 00608650, 2-PHENYLETHYL 4-(3,4-DICHLOROPHENYL)-1,6-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, 2-phenylethyl 4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, phenethyl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C21H20Cl2N2O3 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 4.7494 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.08508 |
| Heavy Atoms | 28 |
| Complexity | 928.50287 |
Chemical Identifiers
| CAS Number | 5705-93-1 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_000862 (CAS 5705-93-1), with molecular formula C21H20Cl2N2O3 and molecular weight 418.09 g/mol. IUPAC: 2-phenylethyl 6-(3,4-dichlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000862
Property Insights of ChemDiv1_000862
The XLogP value of 4.7494 indicates that ChemDiv1_000862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_000862 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_000862 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000862?
The CAS number of ChemDiv1_000862 is 5705-93-1.
What is the molecular formula of ChemDiv1_000862?
The molecular formula of ChemDiv1_000862 is C21H20Cl2N2O3.
What is the molecular weight of ChemDiv1_000862?
The molecular weight of ChemDiv1_000862 is 418.09 g/mol.
Where can I buy ChemDiv1_000862?
You can request a quote for ChemDiv1_000862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000862?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.